PARITY_EVEN

PARITY_UNSPEC

static final int PARITY_UNSPEC

Unspecified parity flag. Has meaning only in conjunction with
specified parity information of an atom in case of query structures.
Used in the following sense:
The parity of the atom is the specified one or unspecified.
For example, in the following SMARTS query the third atom has flag
PARITY_UNSPEC | PARITY_ODD: [#6]C[C@@?H]([#6])Cl

CHIRALITY_S

CHIRALITY_r

static final int CHIRALITY_r

Pseudo-asymmetric chiral atom of r configuration.
An atom that is a tetrahedrally substituted atom and
bonded to four different entities, two and only two of which
have opposite configurations, is stereogenic. The descriptors
'r' and 's' are used to denote such centers.
The stereodescriptors 'r' and 's' are reflexion invariant.

CIS_TRANS

CTUNSPEC

static final int CTUNSPEC

Unspecified double bond.
Query flag. Only used in conjunction with CIS or TRANS.
For example, in the following SMARTS query the second bond has flag
CTUNSPEC | TRANS: F/?[#6]=C/Cl. This matches to molecules
F/C=C/Cl and FC=CCl.

STGRP_OR

static final int STGRP_OR

OR stereo group type for enhanced stereo representation. Must be used
together with a number, eg. OR1, OR2, etc. This group type represents a
pure sample of stereoisomers with the labelled chiral centre as drawn
or in the opposite stereo configuration, however the relative stereo
configuration of the same group must not change. (Ie. they are all as
drawn or they are all flipped.)

STGRP_AND

static final int STGRP_AND

AND stereo group type for enhanced stereo representation. Must be used
together with a number, eg. AND1, AND2, etc. This group type represents a
mixture of stereoisomers with the labelled chiral centre as drawn and in
the opposite stereo configuration, however the relative stereo
configuration of the same group must not change. (Ie. they are all as
drawn or they are all flipped.)